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Home >> Chemical Listing >> Page 350 >> 4-Amino-1-[5-O-[Hydroxy[[Hydroxy(Phosphonooxy)Phosphinyl]Oxy]Phosphinyl]-beta-D-Arabinofuranosyl]-2(1H)-Pyrimidinone

4-Amino-1-[5-O-[Hydroxy[[Hydroxy(Phosphonooxy)Phosphinyl]Oxy]Phosphinyl]-beta-D-Arabinofuranosyl]-2(1H)-Pyrimidinone [13191-15-6]

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Identification



Name		4-Amino-1-[5-O-[Hydroxy[[Hydroxy(Phosphonooxy)Phosphinyl]Oxy]Phosphinyl]-beta-D-Arabinofuranosyl]-2(1H)-Pyrimidinone
Synonyms		[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
Molecular Formula		C₉H₁₆N₃O₁₄P₃
Molecular Weight		483.16
CAS Registry Number		13191-15-6
SMILES		[C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
InChI		1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
InChIKey		PCDQPRRSZKQHHS-CCXZUQQUSA-N

Properties

Desity		2.506g/cm³ (Cal.)
Boiling point		849.205°C at 760 mmHg (Cal.)
Flash point		467.382°C (Cal.)

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